Wear is a complicated phenomenon caused by the relative movement of two contacting surfaces compressed together by a normal force. Prediction of the wear, in most cases, requires various experiments and microstructural characterization of the contacting surfaces. Mathematical models based on physical concepts could provide considerable help in understanding the physical behavior and hence the p...

Wear is a complicated phenomenon caused by the relative movement of two contacting surfaces compressed together by a normal force. Prediction of the wear, in most cases, requires various experiments and microstructural characterization of the contacting surfaces. Mathematical models based on physical concepts could provide considerable help in understanding the physical behavior and hence the p...

the method of entropy production minimization for finding energy efficient paths of operation of process equipment is first presented using an instructive example with optimal control theory. with refer-ence to the earlier investigations, the researchers present some design rules that relate to the designs’ en-tropy production. minimum entropy production is not obtained in special cases, not ge...

Understanding the thermodynamics of binding of a lead compound to a receptor can provide valuable information for drug design. The binding of compounds, particularly partial agonists, to subtypes of the α-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor is, in some cases, driven by increases in entropy. Using a series of partial agonists based on the structure of the natural ...

Here we have systematically studied the cooperative binding of substrate molecules on the active sites of a single oligomeric enzyme in a chemiostatic condition. The average number of bound substrate and the net velocity of the enzyme catalyzed reaction are studied by the formulation of stochastic master equation for the cooperative binding classified here as spatial and temporal. We have estim...

Many viruses evolve rapidly. For example, hemagglutinin of the H3N2 influenza A virus evolves to escape antibody binding. This evolution of the H3N2 virus means that people who have previously been exposed to an influenza strain may be infected by a newly emerged virus. In this paper, we use Shannon entropy and relative entropy to measure the diversity and selection pressure by antibody in each...

Many viruses evolve rapidly. For example, haemagglutinin (HA) of the H3N2 influenza A virus evolves to escape antibody binding. This evolution of the H3N2 virus means that people who have previously been exposed to an influenza strain may be infected by a newly emerged virus. In this paper, we use Shannon entropy and relative entropy to measure the diversity and selection pressure by an antibod...

The restriction of a small molecule's motion on binding to a protein causes a loss of configurational entropy, and thus a penalty in binding affinity. Some energy models used in computer-aided ligand design neglect this entropic penalty, whereas others account for it based on an expected drop in the number of accessible rotamers upon binding. However, the validity of the physical assumptions un...